Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23646021 | 0.75 | ALDH1A1 (0.45) | SMN1; SMN2HTTKMT2AMEN1GAA | |
| SCHEMBL12895816 | 0.75 | HTT (0.64) | SMN1; SMN2HTTKMT2AMEN1GAA | |
| SCHEMBL8976690 | 0.74 | TDP1 (0.59) | SMN1; SMN2HTTKMT2AMEN1MAPT | |
| SCHEMBL8349354 | 0.72 | KMT2A (0.58) | KMT2AMEN1GAAL3MBTL1MCL1 | |
| SCHEMBL988425 | 0.72 | ALDH1A1 (0.54) | SMN1; SMN2KMT2AMAPTALDH1A1HPGD | |
| SCHEMBL10889732 | 0.71 | HCRTR1 (0.33) | ALDH1A1LMNA | |
| SCHEMBL11104028 | 0.70 | LDHA (0.42) | — | |
| SCHEMBL11222840 | 0.70 | ALDH1A1 (0.39) | SMN1; SMN2KMT2AALDH1A1TSHR | |
| SCHEMBL7865350 | 0.68 | KMT2A (0.50) | SMN1; SMN2HTTKMT2AMEN1GAA | |
| SCHEMBL1180020 | 0.66 | KMT2A (0.51) | SMN1; SMN2HTTKMT2AMEN1GAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11181512-B2 | Electronic ID database and detection method for pesticide compounds in edible Agro-products based on GC-Q-Orbitrap | CHINESE ACADEMY OF INSPECTION AND QUARANTINE | 2021-11-23 | — | — | US | disclosed |
| US-11169128-B2 | Electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap | CHINESE ACADEMY OF INSPECTION AND QUARANTINE | 2021-11-09 | — | — | US | disclosed |
| US-20210285921-A1 | ELECTRONIC ID DATABASE AND DETECTION METHOD FOR PESTICIDE COMPOUNDS IN EDIBLE AGRO-PRODUCTS BASED ON GC-Q-ORBITRAP | CHINESE ACADEMY OF INSPECTION AND QUARANTINE (CN) | 2021-09-16 | — | — | US | disclosed |
| US-20210223219-A1 | ELECTRONIC ID DATABASE AND DETECTION METHOD FOR PESTICIDE COMPOUND IN EDIBLE AGRO-PRODUCTS BASED ON LC-Q-ORBITRAP | BEIJING UNI-STAR INSPECTION TECHNOLOGY CO., LTD. (CN) | 2021-07-22 | — | — | US | disclosed |